SCHEMBL12680940

SCHEMBL12680940

Cc1nc2c(s1)CN(CC(C)C)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.57
RAD52 P43351 1/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 2/20 0.40
PDE10A Q9Y233 1/20 0.40
HRH3 Q9Y5N1 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 2/20 0.36
PIK3CD O00329 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6369558 0.82 RAD52 (0.69) GRM5RAD52RECQLMAPTPDE10A
SCHEMBL17377120 0.81 RAD52 (0.46) GRM5RAD52RECQLMAPTPDE10A
SCHEMBL17377122 0.81 RAD52 (0.46) GRM5RAD52RECQLMAPTPDE10A
SCHEMBL12680942 0.79 RAD52 (0.53) GRM5RAD52RECQLMAPTPDE10A
SCHEMBL16286091 0.78 RAD52 (0.48) GRM5RAD52RECQLMAPTPDE10A
SCHEMBL17088067 0.78 RAD52 (0.48) GRM5RAD52RECQLMAPTPDE10A
SCHEMBL16609856 0.77 RAD52 (0.47) GRM5RAD52RECQLMAPTPDE10A
SCHEMBL16609857 0.77 RAD52 (0.47) GRM5RAD52RECQLMAPTPDE10A
SCHEMBL21451958 0.77 RAD52 (0.47) GRM5RAD52RECQLMAPTPDE10A
SCHEMBL16809359 0.77 RAD52 (0.47) GRM5RAD52RECQLMAPTPDE10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 GRM5 429/4885RAD52 3699/4885RECQL 1204/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.